2-ethenyl-3-hydroxypent-4-enenitrile

C7H9NO — CID 173159974

IUPAC2-ethenyl-3-hydroxypent-4-enenitrile
SMILESC=CC(O)C(C#N)C=C
InChIInChI=1S/C7H9NO/c1-3-6(5-8)7(9)4-2/h3-4,6-7,9H,1-2H2
InChIKeyFGMVNHXXDMYRAH-UHFFFAOYSA-N
MW123.16 g/mol
LogP0.86
Rot. Bonds3

About 2-ethenyl-3-hydroxypent-4-enenitrile

2-ethenyl-3-hydroxypent-4-enenitrile (PubChem CID 173159974) has the molecular formula C7H9NO and a molecular weight of 123.16 g/mol. Its IUPAC name is 2-ethenyl-3-hydroxypent-4-enenitrile.

Molecular Properties

Compound Name2-ethenyl-3-hydroxypent-4-enenitrile
PubChem CID173159974
Molecular FormulaC7H9NO
Molecular Weight123.16 g/mol
Exact Mass123.07
IUPAC Name2-ethenyl-3-hydroxypent-4-enenitrile
SMILESC=CC(O)C(C#N)C=C
InChIInChI=1S/C7H9NO/c1-3-6(5-8)7(9)4-2/h3-4,6-7,9H,1-2H2
InChIKeyFGMVNHXXDMYRAH-UHFFFAOYSA-N
XLogP0.86
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.16
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-3-hydroxypent-4-enenitrile?
The IUPAC name of 2-ethenyl-3-hydroxypent-4-enenitrile (CID 173159974) is 2-ethenyl-3-hydroxypent-4-enenitrile.
What is the SMILES notation for 2-ethenyl-3-hydroxypent-4-enenitrile?
The canonical SMILES for 2-ethenyl-3-hydroxypent-4-enenitrile is C=CC(O)C(C#N)C=C.
What is the InChIKey of 2-ethenyl-3-hydroxypent-4-enenitrile?
The InChIKey is FGMVNHXXDMYRAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO/c1-3-6(5-8)7(9)4-2/h3-4,6-7,9H,1-2H2.
What are the key properties of 2-ethenyl-3-hydroxypent-4-enenitrile?
2-ethenyl-3-hydroxypent-4-enenitrile has a molecular weight of 123.16 g/mol, XLogP of 0.86, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-3-hydroxypent-4-enenitrile is sourced from PubChem (CID 173159974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).